diff --git a/trunk/dports/science/apbs/Portfile b/trunk/dports/science/apbs/Portfile
a
|
b
|
|
6 | 6 | |
7 | 7 | name apbs |
8 | 8 | version 1.3.0 |
9 | | revision 1 |
| 9 | revision 2 |
10 | 10 | set branch [join [lrange [split ${version} .] 0 1] .] |
11 | 11 | categories science |
12 | 12 | maintainers bromo.med.uc.edu:howarth |
… |
… |
|
25 | 25 | checksums md5 f99a505365f07f6853979cfe2ef23365 \ |
26 | 26 | sha1 1494f36e35f2e4b1a18d4b22516fad4948c6391f |
27 | 27 | |
28 | | depends_lib port:gcc45 \ |
29 | | port:readline \ |
| 28 | depends_lib port:readline \ |
30 | 29 | port:py26-zsi |
31 | 30 | patchfiles apbs.diff |
32 | 31 | |
… |
… |
|
36 | 35 | |
37 | 36 | build.cmd make |
38 | 37 | build.target all |
39 | | configure.env py_path=${python.bin} F77=gfortran-mp-4.5 |
| 38 | configure.env py_path=${python.bin} |
40 | 39 | configure.args --enable-python --with-python=${python.bin} --with-blas="-L/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A -lblas -Wl,-framework -Wl,vecLib -Wl,-undefined -Wl,dynamic_lookup" FFLAGS="-O3" |
| 40 | pre-configure { |
| 41 | configure.env-append F77=${configure.f77} |
| 42 | } |
41 | 43 | |
42 | 44 | post-patch { |
43 | 45 | reinplace "s|@PYTHON_PKGD@|${python.pkgd}|g" ${worksrcpath}/configure |
… |
… |
|
72 | 74 | post-destroot { |
73 | 75 | system "${python.bin} -O ${python.libdir}/compileall.py -d ${python.pkgd}/apbs ${destroot}${python.pkgd}/apbs" |
74 | 76 | } |
| 77 | |
| 78 | variant gcc45 conflicts gcc46 gcc47 description {Build with GFortran 4.5} { |
| 79 | configure.compiler macports-gcc-4.5 |
| 80 | depends_lib-append port:gcc45 |
| 81 | } |
| 82 | variant gcc46 conflicts gcc45 gcc47 description {Build with GFortran 4.6} { |
| 83 | configure.compiler macports-gcc-4.6 |
| 84 | depends_lib-append port:gcc46 |
| 85 | } |
| 86 | variant gcc47 conflicts gcc45 gcc46 description {Build with GFortran 4.7} { |
| 87 | configure.compiler macports-gcc-4.7 |
| 88 | depends_lib-append port:gcc47 |
| 89 | } |
| 90 | |
| 91 | if {![variant_isset gcc46] && ![variant_isset gcc47]} { |
| 92 | default_variants +gcc45 |
| 93 | } |
diff --git a/trunk/dports/science/ccpnmr/Portfile b/trunk/dports/science/ccpnmr/Portfile
a
|
b
|
|
5 | 5 | |
6 | 6 | name ccpnmr |
7 | 7 | version 2.2.2 |
8 | | revision 1 |
| 8 | revision 2 |
9 | 9 | set branch [join [lrange [split $version .] 0 1] .] |
10 | 10 | categories science python |
11 | 11 | maintainers bromo.med.uc.edu:howarth |
… |
… |
|
23 | 23 | checksums md5 a3ede39ed484d261eb82137055dc66a1 \ |
24 | 24 | sha1 825ad7487ef6191baac0e5aa3d0ec6a6ed94a04f |
25 | 25 | worksrcdir ${name} |
26 | | depends_lib port:py27-scipy port:mesa port:freeglut port:tk port:py27-tkinter port:gcc45 |
| 26 | depends_lib port:py27-scipy port:mesa port:freeglut port:tk port:py27-tkinter |
27 | 27 | patchfiles ccpnmr.patch |
28 | 28 | use_configure no |
29 | 29 | |
… |
… |
|
34 | 34 | set python.libdir ${python.prefix}/lib/python${python.branch} |
35 | 35 | set python.include ${python.prefix}/include/python${python.branch} |
36 | 36 | |
| 37 | set lib "" |
| 38 | |
37 | 39 | post-patch { |
38 | 40 | reinplace "s|@PYTHON_BIN@|${python.bin}|g" ${worksrcpath}/bin/analysis \ |
39 | 41 | ${worksrcpath}/bin/formatConverter \ |
… |
… |
|
51 | 53 | reinplace "s|@PREFIX@|${prefix}|g" ${worksrcpath}/ccpnmr${branch}/c/environment-opengl.txt |
52 | 54 | reinplace "s|/usr/X11R6|${prefix}|g" ${worksrcpath}/ccpnmr${branch}/c/environment-opengl.txt |
53 | 55 | reinplace "s|@PYTHON_INCL@|${python.include}|g" ${worksrcpath}/ccpnmr${branch}/c/environment-opengl.txt |
| 56 | reinplace "s|@CC@|${configure.cc}|g" ${worksrcpath}/ccpnmr${branch}/c/environment-opengl.txt |
| 57 | reinplace "s|@GCCLIB@|${lib}|g" ${worksrcpath}/ccpnmr${branch}/c/environment-opengl.txt |
54 | 58 | } |
55 | 59 | pre-build { |
56 | 60 | copy ${worksrcpath}/ccpnmr${branch}/c/environment-opengl.txt ${worksrcpath}/ccpnmr${branch}/c/environment.txt |
57 | 61 | } |
58 | 62 | |
59 | | configure.compiler macports-gcc-4.5 |
60 | 63 | build.args CC=${configure.cc} ARCHFLAGS="${configure.cc_archflags}" |
61 | 64 | build.dir ${worksrcpath}/ccpnmr${branch}/c |
62 | 65 | build.target all links |
… |
… |
|
74 | 77 | post-destroot { |
75 | 78 | system "${python.bin} -O ${python.libdir}/compileall.py -d ${python.pkgd}/${name}/${name}${branch} ${destroot}${python.pkgd}/${name}/${name}${branch}" |
76 | 79 | } |
| 80 | |
| 81 | variant gcc45 conflicts gcc46 gcc47 description {Build with GCC 4.5} { |
| 82 | configure.compiler macports-gcc-4.5 |
| 83 | depends_lib-append port:gcc45 |
| 84 | set lib ${prefix}/lib/gcc45 |
| 85 | } |
| 86 | variant gcc46 conflicts gcc45 gcc47 description {Build with GCC 4.6} { |
| 87 | configure.compiler macports-gcc-4.6 |
| 88 | depends_lib-append port:gcc46 |
| 89 | set lib ${prefix}/lib/gcc46 |
| 90 | } |
| 91 | variant gcc47 conflicts gcc45 gcc46 description {Build with GCC 4.7} { |
| 92 | configure.compiler macports-gcc-4.7 |
| 93 | depends_lib-append port:gcc47 |
| 94 | set lib ${prefix}/lib/gcc47 |
| 95 | } |
| 96 | |
| 97 | if {![variant_isset gcc46] && ![variant_isset gcc47]} { |
| 98 | default_variants +gcc45 |
| 99 | } |
diff --git a/trunk/dports/science/ccpnmr/files/ccpnmr.patch b/trunk/dports/science/ccpnmr/files/ccpnmr.patch
a
|
b
|
|
127 | 127 | @@ -0,0 +1,56 @@ |
128 | 128 | +#Environment file for use with fink to build ccpnmr suite - environment.txt |
129 | 129 | + |
130 | | +CC = gcc-mp-4.5 |
| 130 | +CC = @CC@ |
131 | 131 | +LINK = $(CC) |
132 | 132 | +MAKE = make |
133 | 133 | +CO_NAME = -c $< |
… |
… |
|
146 | 146 | +COPY_LIBRARIES = sh copySharedObjs |
147 | 147 | + |
148 | 148 | +OPENMP_FLAGS = -fopenmp |
149 | | +OPENMP_LIB = -L@PREFIX@/lib/gcc45 -lgomp |
| 149 | +OPENMP_LIB = -L@GCCLIB@ -lgomp |
150 | 150 | + |
151 | 151 | +GL_FLAG = -DUSE_GL_TRUE |
152 | 152 | + |
diff --git a/trunk/dports/science/pdb2pqr/Portfile b/trunk/dports/science/pdb2pqr/Portfile
a
|
b
|
|
6 | 6 | |
7 | 7 | name pdb2pqr |
8 | 8 | version 1.7 |
9 | | revision 1 |
| 9 | revision 2 |
10 | 10 | categories science |
11 | 11 | maintainers bromo.med.uc.edu:howarth |
12 | 12 | description automate Poisson-Boltzmann electrostatics calculations |
… |
… |
|
23 | 23 | use_configure yes |
24 | 24 | build.cmd make |
25 | 25 | build.target all |
26 | | depends_lib port:gcc45 \ |
27 | | port:py26-numeric |
| 26 | depends_lib port:py26-numeric |
| 27 | |
28 | 28 | post-patch { |
29 | | reinplace "s|fort xlf95 lf95 g95|gfortran-mp-4.5|g" ${worksrcpath}/propka/configure |
| 29 | reinplace "s|fort xlf95 lf95 g95|${configure.f77}|g" ${worksrcpath}/propka/configure |
30 | 30 | reinplace "s|/usr/bin/env python|${python.bin}|g" ${worksrcpath}/pdb2pka/pka.py |
31 | 31 | reinplace "s|/usr/bin/python|${python.bin}|g" ${worksrcpath}/src/psize.py |
32 | 32 | reinplace "s|-Wl,-framework -Wl,Python -bundle|${python.lib} -bundle|g" \ |
… |
… |
|
34 | 34 | ${worksrcpath}/propka/configure |
35 | 35 | delete ${worksrcpath}/contrib |
36 | 36 | } |
37 | | configure.args --with-max-atoms="1000000" --without-url --with-python=${python.bin} \ |
38 | | -with-f77=gfortran-mp-4.5 |
| 37 | configure.args --with-max-atoms="1000000" --without-url --with-python=${python.bin} |
| 38 | pre-configure { |
| 39 | configure.args-append -with-f77=${configure.f77} |
| 40 | } |
39 | 41 | destroot { |
40 | 42 | system "find ${worksrcpath} -name '*.o' -delete" |
41 | 43 | file mkdir ${destroot}${prefix}/share/{name} |
… |
… |
|
47 | 49 | system "echo '${prefix}/share/${name}/propka/propka \"\$@\"' >> ${destroot}${prefix}/bin/propka" |
48 | 50 | file attributes ${destroot}${prefix}/bin/propka -permissions a+x |
49 | 51 | } |
| 52 | |
| 53 | variant gcc45 conflicts gcc46 gcc47 description {Build with GCC 4.5} { |
| 54 | configure.compiler macports-gcc-4.5 |
| 55 | depends_lib-append port:gcc45 |
| 56 | } |
| 57 | variant gcc46 conflicts gcc45 gcc47 description {Build with GCC 4.6} { |
| 58 | configure.compiler macports-gcc-4.6 |
| 59 | depends_lib-append port:gcc46 |
| 60 | } |
| 61 | variant gcc47 conflicts gcc45 gcc46 description {Build with GCC 4.7} { |
| 62 | configure.compiler macports-gcc-4.7 |
| 63 | depends_lib-append port:gcc47 |
| 64 | } |
| 65 | |
| 66 | if {![variant_isset gcc46] && ![variant_isset gcc47]} { |
| 67 | default_variants +gcc45 |
| 68 | } |